
TY  - JOUR
A1  - Maclaga, n 
T1  - A Valence-Bond Study of the Role of 3d Orbitals in the Bonding in ClF<sub>3</sub>
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1988
VL  - 41
IS  - 4
SP  - 527
EP  - 533
KW  - 
UR  - https://doi.org/10.1071/CH9880527 
N2  - Minimal basis set valence-bond calculations on ClF3, with, and without, the use of chlorine 3d orbitals are described. The most important structure is a spin-paired diradical structure. The covalent structure with three covalent Cl -F covalent bonds has a sufficiently low importance that 3d orbitals are not essential for describing the bonding in ClF3. Chlorine 3d orbitals do have a significant contribution to the calculated energy. 
ER  -

